2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide

C11H13N5O2 — CID 11345621

IUPAC2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide
SMILESCC1(C)Cc2nc(N)c(C(=O)N=[N+]=[N-])cc2CO1
InChIInChI=1S/C11H13N5O2/c1-11(2)4-8-6(5-18-11)3-7(9(12)14-8)10(17)15-16-13/h3H,4-5H2,1-2H3,(H2,12,14)
InChIKeySDVUNNXVPFITBT-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.97
Rot. Bonds1

About 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide

2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide (PubChem CID 11345621) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide
PubChem CID11345621
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide
SMILESCC1(C)Cc2nc(N)c(C(=O)N=[N+]=[N-])cc2CO1
InChIInChI=1S/C11H13N5O2/c1-11(2)4-8-6(5-18-11)3-7(9(12)14-8)10(17)15-16-13/h3H,4-5H2,1-2H3,(H2,12,14)
InChIKeySDVUNNXVPFITBT-UHFFFAOYSA-N
XLogP1.97
TPSA113.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide?
The IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide (CID 11345621) is 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide.
What is the SMILES notation for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide?
The canonical SMILES for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide is CC1(C)Cc2nc(N)c(C(=O)N=[N+]=[N-])cc2CO1.
What is the InChIKey of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide?
The InChIKey is SDVUNNXVPFITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-11(2)4-8-6(5-18-11)3-7(9(12)14-8)10(17)15-16-13/h3H,4-5H2,1-2H3,(H2,12,14).
What are the key properties of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide?
2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide has a molecular weight of 247.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonyl azide is sourced from PubChem (CID 11345621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).